E8L
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAZ | OAM | sing | 1.43Å | 1.43Å | |
OAM | CAL | sing | 1.43Å | 1.42Å | |
CAL | CAK | sing | 1.53Å | 1.53Å | |
CAK | OAJ | sing | 1.43Å | 1.42Å | |
CAI | CAG | sing | 1.53Å | 1.53Å | |
OAJ | CAB | sing | 1.36Å | 1.36Å | |
CAH | CAG | sing | 1.53Å | 1.55Å | |
CAG | CAA | sing | 1.51Å | 1.43Å | |
CAB | CAA | doub | 1.39Å | 1.41Å | Aromatic |
CAB | CAC | sing | 1.39Å | 1.41Å | Aromatic |
CAA | CAF | sing | 1.38Å | 1.40Å | Aromatic |
CAC | CAD | doub | 1.39Å | 1.39Å | Aromatic |
OAY | CAW | doub | 1.22Å | 1.25Å | |
CAS | CAR | doub | 1.37Å | 1.41Å | Aromatic |
CAS | CAT | sing | 1.40Å | 1.40Å | Aromatic |
CAR | CAP | sing | 1.39Å | 1.40Å | Aromatic |
CAW | CAT | sing | 1.47Å | 1.40Å | |
CAW | OAX | sing | 1.35Å | 1.27Å | |
CAF | CAE | doub | 1.38Å | 1.40Å | Aromatic |
CAT | CAU | doub | 1.40Å | 1.39Å | Aromatic |
CAD | CAE | sing | 1.39Å | 1.39Å | Aromatic |
CAD | NAN | sing | 1.40Å | 1.36Å | |
CAP | NAN | sing | 1.39Å | 1.35Å | |
CAP | NAV | doub | 1.33Å | 1.35Å | Aromatic |
NAN | CAO | sing | 1.47Å | 1.47Å | |
CAU | NAV | sing | 1.32Å | 1.40Å | Aromatic |
CAQ | CAO | sing | 1.53Å | 1.50Å | |
CAC | H1 | sing | 1.08Å | 1.08Å | |
CAE | H2 | sing | 1.08Å | 1.08Å | |
CAF | H3 | sing | 1.08Å | 1.08Å | |
CAG | H4 | sing | 1.09Å | 1.10Å | |
CAH | H5 | sing | 1.09Å | 1.10Å | |
CAH | H6 | sing | 1.09Å | 1.10Å | |
CAH | H7 | sing | 1.09Å | 1.10Å | |
CAI | H8 | sing | 1.09Å | 1.10Å | |
CAI | H9 | sing | 1.09Å | 1.10Å | |
CAI | H10 | sing | 1.09Å | 1.10Å | |
CAK | H11 | sing | 1.09Å | 1.10Å | |
CAK | H12 | sing | 1.09Å | 1.10Å | |
CAL | H13 | sing | 1.09Å | 1.10Å | |
CAL | H14 | sing | 1.09Å | 1.10Å | |
CAO | H15 | sing | 1.09Å | 1.10Å | |
CAO | H16 | sing | 1.09Å | 1.10Å | |
CAQ | H17 | sing | 1.09Å | 1.10Å | |
CAQ | H18 | sing | 1.09Å | 1.10Å | |
CAQ | H19 | sing | 1.09Å | 1.10Å | |
CAR | H20 | sing | 1.08Å | 1.08Å | |
CAS | H21 | sing | 1.08Å | 1.08Å | |
CAU | H22 | sing | 1.08Å | 1.08Å | |
CAZ | H23 | sing | 1.09Å | 1.10Å | |
CAZ | H24 | sing | 1.09Å | 1.10Å | |
CAZ | H25 | sing | 1.09Å | 1.10Å | |
OAX | H26 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAZ | OAM | CAL | 113.9° | 114.0° |
OAM | CAZ | H23 | 109.5° | 109.5° |
OAM | CAZ | H24 | 109.5° | 109.5° |
OAM | CAZ | H25 | 109.5° | 109.5° |
OAM | CAL | CAK | 107.1° | 109.4° |
OAM | CAL | H13 | 110.0° | 109.5° |
OAM | CAL | H14 | 110.1° | 109.5° |
CAL | CAK | OAJ | 107.0° | 109.5° |
CAL | CAK | H11 | 110.1° | 109.5° |
CAL | CAK | H12 | 110.1° | 109.5° |
CAK | CAL | H13 | 110.1° | 109.5° |
CAK | CAL | H14 | 110.0° | 109.4° |
CAK | OAJ | CAB | 118.0° | 117.0° |
OAJ | CAK | H11 | 110.1° | 109.5° |
OAJ | CAK | H12 | 110.1° | 109.5° |
CAI | CAG | CAH | 108.9° | 109.5° |
CAI | CAG | CAA | 114.5° | 109.4° |
CAI | CAG | H4 | 106.7° | 109.5° |
CAG | CAI | H8 | 109.5° | 109.5° |
CAG | CAI | H9 | 109.5° | 109.5° |
CAG | CAI | H10 | 109.5° | 109.5° |
OAJ | CAB | CAA | 116.8° | 120.0° |
OAJ | CAB | CAC | 122.1° | 120.1° |
CAH | CAG | CAA | 111.9° | 109.5° |
CAH | CAG | H4 | 106.5° | 109.5° |
CAG | CAH | H5 | 109.5° | 109.4° |
CAG | CAH | H6 | 109.4° | 109.5° |
CAG | CAH | H7 | 109.5° | 109.5° |
CAG | CAA | CAB | 124.6° | 119.9° |
CAG | CAA | CAF | 117.2° | 120.0° |
CAA | CAG | H4 | 107.9° | 109.5° |
CAA | CAB | CAC | 121.1° | 119.9° |
CAB | CAA | CAF | 118.2° | 120.1° |
CAB | CAC | CAD | 119.7° | 119.9° |
CAB | CAC | H1 | 120.1° | 120.0° |
CAA | CAF | CAE | 120.6° | 120.1° |
CAA | CAF | H3 | 119.7° | 119.9° |
CAC | CAD | CAE | 119.4° | 119.9° |
CAC | CAD | NAN | 123.4° | 120.0° |
CAD | CAC | H1 | 120.2° | 120.1° |
OAY | CAW | CAT | 120.4° | 120.0° |
OAY | CAW | OAX | 119.1° | 120.0° |
CAR | CAS | CAT | 120.6° | 118.5° |
CAS | CAR | CAP | 120.5° | 119.4° |
CAS | CAR | H20 | 119.7° | 120.3° |
CAR | CAS | H21 | 119.7° | 120.8° |
CAS | CAT | CAW | 121.5° | 120.5° |
CAS | CAT | CAU | 117.4° | 119.0° |
CAT | CAS | H21 | 119.7° | 120.7° |
CAR | CAP | NAN | 122.9° | 119.5° |
CAR | CAP | NAV | 118.7° | 120.9° |
CAP | CAR | H20 | 119.8° | 120.3° |
CAT | CAW | OAX | 120.1° | 120.0° |
CAW | CAT | CAU | 121.0° | 120.5° |
CAW | OAX | H26 | 109.5° | 117.0° |
CAF | CAE | CAD | 121.0° | 120.0° |
CAF | CAE | H2 | 119.5° | 120.0° |
CAE | CAF | H3 | 119.7° | 119.9° |
CAT | CAU | NAV | 121.7° | 120.5° |
CAT | CAU | H22 | 119.2° | 119.8° |
CAE | CAD | NAN | 117.2° | 120.0° |
CAD | CAE | H2 | 119.5° | 120.0° |
CAD | NAN | CAP | 122.1° | 120.0° |
CAD | NAN | CAO | 119.3° | 120.0° |
NAN | CAP | NAV | 118.3° | 119.5° |
CAP | NAN | CAO | 118.5° | 120.0° |
CAP | NAV | CAU | 121.1° | 121.6° |
NAN | CAO | CAQ | 105.9° | 109.5° |
NAN | CAO | H15 | 110.4° | 109.4° |
NAN | CAO | H16 | 110.3° | 109.5° |
NAV | CAU | H22 | 119.2° | 119.7° |
CAQ | CAO | H15 | 110.4° | 109.5° |
CAQ | CAO | H16 | 110.4° | 109.5° |
CAO | CAQ | H17 | 109.5° | 109.5° |
CAO | CAQ | H18 | 109.5° | 109.5° |
CAO | CAQ | H19 | 109.5° | 109.5° |
H5 | CAH | H6 | 109.5° | 109.5° |
H5 | CAH | H7 | 109.5° | 109.5° |
H6 | CAH | H7 | 109.5° | 109.5° |
H8 | CAI | H9 | 109.5° | 109.4° |
H8 | CAI | H10 | 109.5° | 109.5° |
H9 | CAI | H10 | 109.5° | 109.5° |
H11 | CAK | H12 | 109.5° | 109.4° |
H13 | CAL | H14 | 109.5° | 109.5° |
H15 | CAO | H16 | 109.5° | 109.4° |
H17 | CAQ | H18 | 109.5° | 109.5° |
H17 | CAQ | H19 | 109.5° | 109.5° |
H18 | CAQ | H19 | 109.5° | 109.4° |
H23 | CAZ | H24 | 109.5° | 109.5° |
H23 | CAZ | H25 | 109.5° | 109.5° |
H24 | CAZ | H25 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAZ | OAM | CAL | CAK | 169.6° | 180.0° |
CAZ | OAM | CAL | H13 | 70.7° | 60.0° |
CAZ | OAM | CAL | H14 | 50.0° | 60.1° |
OAM | CAZ | H23 | H24 | 120.0° | 120.0° |
OAM | CAZ | H23 | H25 | 120.0° | 120.0° |
OAM | CAZ | H24 | H25 | 120.0° | 120.0° |
OAM | CAL | CAK | H13 | 119.6° | 120.0° |
OAM | CAL | CAK | H14 | 119.6° | 119.9° |
OAM | CAL | CAK | OAJ | 61.0° | 65.0° |
OAM | CAL | CAK | H11 | 58.6° | 175.0° |
OAM | CAL | CAK | H12 | 179.4° | 55.0° |
OAM | CAL | H13 | H14 | 121.1° | 120.0° |
CAL | OAM | CAZ | H23 | 180.0° | 60.0° |
CAL | OAM | CAZ | H24 | 60.0° | 60.1° |
CAL | OAM | CAZ | H25 | 60.0° | 180.0° |
CAL | CAK | OAJ | H11 | 119.6° | 120.1° |
CAL | CAK | OAJ | H12 | 119.6° | 120.0° |
CAL | CAK | OAJ | CAB | 170.2° | 180.0° |
CAL | CAK | H11 | H12 | 121.2° | 120.0° |
CAK | CAL | H13 | H14 | 121.1° | 120.0° |
CAK | OAJ | CAB | CAA | 172.2° | 180.0° |
CAK | OAJ | CAB | CAC | 7.8° | 0.0° |
OAJ | CAK | H11 | H12 | 121.2° | 119.9° |
OAJ | CAK | CAL | H13 | 179.4° | 175.0° |
OAJ | CAK | CAL | H14 | 58.6° | 55.0° |
CAI | CAG | CAH | CAA | 127.6° | 120.0° |
CAI | CAG | CAH | H4 | 114.7° | 120.0° |
CAI | CAG | CAA | H4 | 118.6° | 120.0° |
CAI | CAG | CAA | CAB | 63.7° | 119.7° |
CAI | CAG | CAA | CAF | 116.3° | 60.0° |
CAI | CAG | CAH | H5 | 180.0° | 180.0° |
CAI | CAG | CAH | H6 | 60.0° | 60.1° |
CAI | CAG | CAH | H7 | 60.0° | 60.0° |
CAG | CAI | H8 | H9 | 120.0° | 120.0° |
CAG | CAI | H8 | H10 | 120.0° | 120.1° |
CAG | CAI | H9 | H10 | 120.0° | 120.0° |
OAJ | CAB | CAA | CAG | 0.9° | 0.3° |
OAJ | CAB | CAA | CAC | 180.0° | 180.0° |
OAJ | CAB | CAA | CAF | 179.1° | 180.0° |
OAJ | CAB | CAC | CAD | 178.9° | 179.9° |
OAJ | CAB | CAC | H1 | 1.1° | 0.0° |
CAB | OAJ | CAK | H11 | 50.6° | 60.0° |
CAB | OAJ | CAK | H12 | 70.2° | 60.0° |
CAH | CAG | CAA | H4 | 116.9° | 120.0° |
CAH | CAG | CAA | CAB | 60.8° | 120.3° |
CAH | CAG | CAA | CAF | 119.2° | 60.0° |
CAG | CAH | H5 | H6 | 120.0° | 120.0° |
CAG | CAH | H5 | H7 | 120.0° | 120.0° |
CAG | CAH | H6 | H7 | 120.0° | 120.0° |
CAH | CAG | CAI | H8 | 180.0° | 179.9° |
CAH | CAG | CAI | H9 | 60.0° | 60.0° |
CAH | CAG | CAI | H10 | 60.0° | 60.0° |
CAG | CAA | CAB | CAF | 179.9° | 179.8° |
CAG | CAA | CAB | CAC | 179.1° | 179.7° |
CAG | CAA | CAF | CAE | 178.9° | 179.7° |
CAG | CAA | CAF | H3 | 1.1° | 0.2° |
CAA | CAG | CAH | H5 | 52.4° | 60.0° |
CAA | CAG | CAH | H6 | 67.6° | 59.9° |
CAA | CAG | CAH | H7 | 172.4° | 180.0° |
CAA | CAG | CAI | H8 | 53.9° | 60.0° |
CAA | CAG | CAI | H9 | 173.9° | 180.0° |
CAA | CAG | CAI | H10 | 66.1° | 60.0° |
CAA | CAB | CAC | CAD | 1.2° | 0.0° |
CAB | CAA | CAF | CAE | 1.0° | 0.0° |
CAA | CAB | CAC | H1 | 178.9° | 180.0° |
CAB | CAA | CAF | H3 | 179.0° | 180.0° |
CAB | CAA | CAG | H4 | 177.6° | 0.2° |
CAC | CAB | CAA | CAF | 0.9° | 0.0° |
CAB | CAC | CAD | H1 | 180.0° | 179.9° |
CAB | CAC | CAD | CAE | 1.5° | 0.1° |
CAB | CAC | CAD | NAN | 179.7° | 180.0° |
CAA | CAF | CAE | H3 | 180.0° | 179.9° |
CAA | CAF | CAE | CAD | 1.5° | 0.0° |
CAA | CAF | CAE | H2 | 178.6° | 180.0° |
CAF | CAA | CAG | H4 | 2.3° | 180.0° |
CAC | CAD | CAE | CAF | 1.7° | 0.0° |
CAC | CAD | CAE | NAN | 178.3° | 180.0° |
CAC | CAD | NAN | CAP | 60.8° | 2.3° |
CAC | CAD | NAN | CAO | 121.3° | 177.7° |
CAC | CAD | CAE | H2 | 178.3° | 180.0° |
OAY | CAW | CAT | CAS | 10.4° | 0.0° |
OAY | CAW | CAT | OAX | 172.9° | 180.0° |
OAY | CAW | CAT | CAU | 172.9° | 180.0° |
OAY | CAW | OAX | H26 | 0.0° | 0.0° |
CAR | CAS | CAT | H21 | 180.0° | 180.0° |
CAS | CAR | CAP | H20 | 180.0° | 179.9° |
CAR | CAS | CAT | CAW | 177.4° | 180.0° |
CAR | CAS | CAT | CAU | 0.5° | 0.1° |
CAS | CAR | CAP | NAN | 178.8° | 180.0° |
CAS | CAR | CAP | NAV | 2.7° | 0.2° |
CAT | CAS | CAR | CAP | 1.7° | 0.1° |
CAS | CAT | CAW | CAU | 176.8° | 179.9° |
CAS | CAT | CAW | OAX | 162.5° | 180.0° |
CAS | CAT | CAU | NAV | 0.3° | 0.2° |
CAT | CAS | CAR | H20 | 178.3° | 180.0° |
CAS | CAT | CAU | H22 | 179.7° | 180.0° |
CAR | CAP | NAN | CAD | 19.7° | 95.6° |
CAR | CAP | NAN | NAV | 176.1° | 179.8° |
CAR | CAP | NAN | CAO | 158.2° | 84.4° |
CAR | CAP | NAV | CAU | 2.5° | 0.4° |
CAP | CAR | CAS | H21 | 178.3° | 179.9° |
CAW | CAT | CAU | NAV | 177.2° | 179.8° |
CAW | CAT | CAS | H21 | 2.6° | 0.0° |
CAW | CAT | CAU | H22 | 2.8° | 0.0° |
CAT | CAW | OAX | H26 | 173.0° | 180.0° |
OAX | CAW | CAT | CAU | 14.2° | 0.0° |
CAF | CAE | CAD | H2 | 180.0° | 180.0° |
CAF | CAE | CAD | NAN | 180.0° | 180.0° |
CAT | CAU | NAV | CAP | 1.4° | 0.4° |
CAT | CAU | NAV | H22 | 180.0° | 179.8° |
CAU | CAT | CAS | H21 | 179.5° | 180.0° |
CAE | CAD | NAN | CAP | 121.0° | 177.6° |
CAE | CAD | NAN | CAO | 56.9° | 2.4° |
CAE | CAD | CAC | H1 | 178.5° | 180.0° |
CAD | CAE | CAF | H3 | 178.5° | 180.0° |
CAD | NAN | CAP | CAO | 177.9° | 180.0° |
CAD | NAN | CAP | NAV | 164.2° | 84.5° |
CAD | NAN | CAO | CAQ | 79.5° | 90.0° |
NAN | CAD | CAC | H1 | 0.3° | 0.1° |
NAN | CAD | CAE | H2 | 0.0° | 0.0° |
CAD | NAN | CAO | H15 | 39.9° | 150.0° |
CAD | NAN | CAO | H16 | 161.1° | 30.0° |
NAN | CAP | NAV | CAU | 178.8° | 179.8° |
CAP | NAN | CAO | CAQ | 102.6° | 90.0° |
CAP | NAN | CAO | H15 | 138.0° | 30.1° |
CAP | NAN | CAO | H16 | 16.9° | 150.0° |
NAN | CAP | CAR | H20 | 1.2° | 0.1° |
NAV | CAP | NAN | CAO | 17.9° | 95.5° |
NAV | CAP | CAR | H20 | 177.3° | 179.7° |
CAP | NAV | CAU | H22 | 178.6° | 179.8° |
NAN | CAO | CAQ | H15 | 119.4° | 120.0° |
NAN | CAO | CAQ | H16 | 119.4° | 120.0° |
NAN | CAO | H15 | H16 | 121.6° | 120.0° |
NAN | CAO | CAQ | H17 | 180.0° | 60.0° |
NAN | CAO | CAQ | H18 | 60.0° | 179.9° |
NAN | CAO | CAQ | H19 | 60.0° | 60.0° |
CAQ | CAO | H15 | H16 | 121.7° | 120.0° |
CAO | CAQ | H17 | H18 | 120.0° | 120.1° |
CAO | CAQ | H17 | H19 | 120.0° | 120.0° |
CAO | CAQ | H18 | H19 | 120.0° | 120.0° |
H2 | CAE | CAF | H3 | 1.4° | 0.0° |
H4 | CAG | CAH | H5 | 65.3° | 60.0° |
H4 | CAG | CAH | H6 | 174.7° | 180.0° |
H4 | CAG | CAH | H7 | 54.7° | 60.0° |
H4 | CAG | CAI | H8 | 65.4° | 59.9° |
H4 | CAG | CAI | H9 | 54.6° | 60.0° |
H4 | CAG | CAI | H10 | 174.6° | 180.0° |
H5 | CAH | H6 | H7 | 120.0° | 120.0° |
H8 | CAI | H9 | H10 | 120.0° | 120.0° |
H11 | CAK | CAL | H13 | 61.0° | 55.0° |
H11 | CAK | CAL | H14 | 178.2° | 65.1° |
H12 | CAK | CAL | H13 | 59.8° | 65.0° |
H12 | CAK | CAL | H14 | 60.9° | 175.0° |
H15 | CAO | CAQ | H17 | 60.6° | 180.0° |
H15 | CAO | CAQ | H18 | 179.4° | 60.0° |
H15 | CAO | CAQ | H19 | 59.4° | 60.0° |
H16 | CAO | CAQ | H17 | 60.6° | 60.0° |
H16 | CAO | CAQ | H18 | 59.5° | 60.0° |
H16 | CAO | CAQ | H19 | 179.4° | 180.0° |
H17 | CAQ | H18 | H19 | 120.0° | 120.0° |
H20 | CAR | CAS | H21 | 1.7° | 0.0° |
H23 | CAZ | H24 | H25 | 120.0° | 120.0° |